diff -up libxc-5.1.4/pylibxc/core.py.pylibxc libxc-5.1.4/pylibxc/core.py
--- libxc-5.1.4/pylibxc/core.py.pylibxc 2021-05-12 15:49:47.445783078 +0000
+++ libxc-5.1.4/pylibxc/core.py 2021-05-12 15:50:46.130762674 +0000
@@ -8,26 +8,8 @@ import numpy as np
import os
# Attempt to load the compiled C code
-core = None
-__libxc_path = None
-
-# First check the local folder
-try:
- __libxc_path = os.path.abspath(os.path.dirname(__file__))
- core = np.ctypeslib.load_library("libxc", __libxc_path)
-except OSError:
- # If no libxc is local, check LD_LIBRARY_PATHS's
- __libxc_path = ctypes.util.find_library("xc")
-
- # If we still havent found it, give up and throw an error
- if __libxc_path is None:
- raise ImportError(
- "LibXC Shared object not found, searched Python module local directory and library paths"
- )
-
- # Load the C object
- core = ctypes.CDLL(__libxc_path)
-
+core = ctypes.CDLL("libxc.so.@SOVERSION@")
+__libxc_path = "@LIBDIR@"
def get_core_path():
"""
diff -up libxc-5.1.4/setup.py.pylibxc libxc-5.1.4/setup.py
--- libxc-5.1.4/setup.py.pylibxc 2021-04-11 15:41:00.000000000 +0000
+++ libxc-5.1.4/setup.py 2021-05-12 15:51:41.967791793 +0000
@@ -8,64 +8,6 @@ from setuptools import setup, find_packa
from setuptools.command.build_ext import build_ext
from distutils.version import LooseVersion
-
-class CMakeExtension(Extension):
- def __init__(self, name, sourcedir=''):
- Extension.__init__(self, name, sources=[])
- self.sourcedir = os.path.abspath(sourcedir)
-
-
-class CMakeBuild(build_ext):
- def run(self):
- try:
- out = subprocess.check_output(['cmake', '--version'])
- except OSError:
- raise RuntimeError("CMake must be installed to build the following extensions: " +
- ", ".join(e.name for e in self.extensions))
-
- if platform.system() == "Windows":
- cmake_version = LooseVersion(re.search(r'version\s*([\d.]+)', out.decode()).group(1))
- if cmake_version < '3.1.0':
- raise RuntimeError("CMake >= 3.1.0 is required on Windows")
-
- for ext in self.extensions:
- self.build_extension(ext)
-
- def build_extension(self, ext):
- extdir = os.path.abspath(os.path.dirname(self.get_ext_fullpath(ext.name)))
- cmake_args = ['-DCMAKE_LIBRARY_OUTPUT_DIRECTORY=' + extdir]
- cmake_args += ['-DBUILD_SHARED_LIBS=ON']
- cmake_args += ['-DBUILD_TESTING=OFF']
- # Python tests need third derivatives
- cmake_args += ['-DDISABLE_KXC=OFF']
-
- cfg = 'Debug' if self.debug else 'Release'
- build_args = ['--config', cfg]
-
- if platform.system() == "Windows":
- cmake_args += ['-DCMAKE_LIBRARY_OUTPUT_DIRECTORY_{}={}'.format(cfg.upper(), extdir)]
- if sys.maxsize > 2**32:
- cmake_args += ['-A', 'x64']
- build_args += ['--', '/m']
- else:
- cmake_args += ['-DCMAKE_BUILD_TYPE=' + cfg]
- nprocs = 1
- try:
- import multiprocessing as mp
- nprocs = mp.cpu_count()
- except ImportError:
- pass
- build_args += ['--', '-j{}'.format(nprocs)]
-
- env = os.environ.copy()
- env['CXXFLAGS'] = '{} -DVERSION_INFO=\\"{}\\"'.format(
- env.get('CXXFLAGS', ''), self.distribution.get_version())
- if not os.path.exists(self.build_temp):
- os.makedirs(self.build_temp)
- subprocess.check_call(['cmake', ext.sourcedir] + cmake_args, cwd=self.build_temp, env=env)
- subprocess.check_call(['cmake', '--build', '.'] + build_args, cwd=self.build_temp)
-
-
if __name__ == "__main__":
exec(open(os.path.join(os.path.abspath(os.path.dirname(__file__)), "pylibxc/version.py")).read())
setup(
@@ -97,8 +39,6 @@ if __name__ == "__main__":
'pytest-cov',
],
packages=find_packages(),
- ext_modules=[CMakeExtension('pylibxc.libxc')],
- cmdclass=dict(build_ext=CMakeBuild),
classifiers=[
'Development Status :: 4 - Beta',
'Intended Audience :: Science/Research',